H-asp-thr-glu-asp-val-val-pro-azanval-ser-met-ser-tyr-thr-trp-thr-gly-lys-oh

Structural Information

Molecular Formula

C₈₃H₁₂₆N₂₀O₃₀S

SMILES

CCCN(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C83H126N20O30S/c1-10-28-103(101-76(125)58-19-15-29-102(58)81(130)64(40(4)5)97-78(127)63(39(2)3)96-73(122)55(34-62(115)116)92-69(118)50(24-25-60(111)112)90-79(128)66(42(7)107)98-68(117)48(85)33-61(113)114)83(133)95-57(38-105)75(124)89-51(26-30-134-9)70(119)94-56(37-104)74(123)91-53(31-44-20-22-46(109)23-21-44)71(120)100-67(43(8)108)80(129)93-54(32-45-35-86-49-17-12-11-16-47(45)49)72(121)99-65(41(6)106)77(126)87-36-59(110)88-52(82(131)132)18-13-14-27-84/h11-12,16-17,20-23,35,39-43,48,50-58,63-67,86,104-109H,10,13-15,18-19,24-34,36-38,84-85H2,1-9H3,(H,87,126)(H,88,110)(H,89,124)(H,90,128)(H,91,123)(H,92,118)(H,93,129)(H,94,119)(H,95,133)(H,96,122)(H,97,127)(H,98,117)(H,99,121)(H,100,120)(H,101,125)(H,111,112)(H,113,114)(H,115,116)(H,131,132)/t41-,42-,43-,48+,50+,51+,52+,53+,54+,55+,56+,57+,58+,63+,64+,65+,66+,67+/m1/s1

InChIKey

HLMMOZRVJBOROE-QFRIKNIGSA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-propylcarbamoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]hexanoic acid

Related CIDs

• CID 16130908